الصفحة 1
الصفحة 1
New Algorithms for Macromolecular Simulation
Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.
Multiphase Reacting Flows : Modelling and Simulation
This book entitled ''Multiphase reacting flows: modelling and simulation'' contains the lecture notes of the CISM (International Centre for Mechanical Sciences) course held in Udine, Italy, on July 3-7, 2006, and it describes various modelling approaches for dealing with polydisperse multiphase reacting flows. A multiphase reacting system is characterized by the presence of multiple phases and in this book we focus on disperse multiphase systems, where one phase can be considered as a continuum, whereas the additional phases are dispersed in the continuous one. In other words, in this book we deal with multiphase systems constituted by particles, droplets or bubbles (i.e., solid particles suspended in a continuous liquid phase, liquid droplets in a gaseous phase, or gas bubbles in liquid.) The other important characteristic elements of the systems discussed in this book are the presence of one or more chemical reactions and the turbulent nature of the flow. The chemical reactions usually involve all the phases present in the system and might be responsible for the formation or disappearance of the disperse and/or continuous phases.
Modelling and simulation of discrete-event systems
Allows engineers to study and analyze complex systems. Discrete-event system (DES)-M&S is used in modern management, industrial engineering, computer science, and the military. As computer speeds and memory capacity increase, so DES-M&S tools become more powerful and more widely used in solving real-life problems.
Modelling and Simulation : Exploring Dynamic System Behaviour
Modelling and Simulation: Exploring Dynamic System Behaviour provides the reader with a balanced and integrated presentation of the modelling and simulation activity for both Discrete Event Dynamic Systems (DEDS) and Continuous Time Dynamic Systems (CTDS). This book presents the fundamentals necessary to understand the many important facets of the modeling and simulation methodology.
High-Performance Modelling and Simulation for Big Data Applications: Selected Results of the COST Action IC1406 cHiPSet
This book is the final compendium of case studies emanated from “High-Performance Modelling and Simulation for Big Data Applications” (cHiPSet).cHiPSet has created a sustainable reference network linking applied research in High Performance Computing (HPC) and Modelling & Simulation to tangibly address Big Data challenges.cHiPSet has also endeavoured to use and exploit results through Open Science practices, i.e., open access publication, open access to data repositories, and open-source software development. A testament to this philosophy, this compendium is set to become a required reference for the fast-changing fields of HPC, Big Data, and Modelling & Simulation.
High performance computing in science and engineering 04 ; Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2004
This book presents the state-of-the-art in modelling and simulation on supercomputers. Leading German research groups present their results achieved on high-end systems of the High Performance Computing Center Stuttgart (HLRS) for the year 2004. The reports cover all fields of computational science and engineering ranging from computational fluid dynamics via computational physics and chemistry to computer science. Special emphasis is given to industrially relevant applications. Presenting results for both vector-systems and micro-processor based systems the book allows to compare performance levels and usability of a variety of supercomputer architectures. In the light of the success of the Japanese Earth-Simulator this book may serve as a guide book for a US response
Handbook of Materials Modeling
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community.
Free Energy Calculations : Theory and Applications in Chemistry and Biology
This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles.
Electronic engineering for neuromedicine
Advances in electronics have revolutionized diagnostic tools and created mobile medicine, touch-sensitive prosthetics, remote surgery, and artificial organs such as hearts, retinas, and bionic skins. This reference text shows the number of ways in which electronic engineering feeds into neuromedicine namely: the modelling and simulation of the brain, providing access to the brain, analysis of the signals and activities of the brain and influencing the function of the brain for therapeutic purposes. The areas of electronic engineering considered are electronic circuits, spectral analysis, filtering of signals, electromagnetic fields and wave propagation. The book is a valuable source to medical students and practitioners as well as electronic engineering and physics students and graduates.
Managing the Complexity of Critical Infrastructures : A Modelling and Simulation Approach
This book summarizes work being pursued in the context of the CIPRNet (Critical Infrastructure Preparedness and Resilience Research Network) research project, co-funded by the European Union under the Seventh Framework Programme (FP7). The project is intended to provide concrete and on-going support to the Critical Infrastructure Protection (CIP) research communities, enhancing their preparedness for CI-related emergencies, while also providing expertise and technologies for other stakeholders to promote their understanding and mitigation of the consequences of CI disruptions, leading to enhanced resilience.
IUTAM symposium on size effects on material and structural behavior at micron- and nano-scales ; Proceedings of the IUTAM Symposium held in Hong Kong, China, 31 May - 4 June, 2004
A collection of twenty five written contributions by distinguished invited speakers from seven countries to the IUTAM Symposium on Size Effects on Material and Structural Behavior at Micron- and Nano-scales. It contains basic theoretical and experimental aspects of the recent advances in the mechanics research of various size effects.
Atmospheric Icing of Power Networks
Atmospheric ice takes a wide range of fascinating forms, all beautiful in their own ways but many posing severe risk to the security of overhead networks for electric power, communications and other systems. This book documents the fundamentals of atmospheric icing and surveys the state of the art in eight chapters, each written by a team of experienced and internationally renowned experts.
Artificial life models in software
Artificial Life Models in Software presents software tools, environments and realities dealing with creation, imitation and analysis of artefactual, virtual and living forms, written by those who personally design and produce software, hardware and art installations in artificial life, simulated complex systems and virtual worlds. This timely volume offers a nearly exhaustive overview and original analysis of major non-profit artificial life software packages. The carefully selected topics include: · simulation of real and imaginary life forms and their evolution · self-organization · emergent behaviours · swarm intelligence · evolutionary robotics · agent-based simulations · adaptive, complex and biologically inspired ecosystems · creative computer art There has long been a need within the academic and research community for an informal introduction and guidance to modern software tools for modelling and simulation of life-like phenomena – Artificial Life Models in Software fills this gap and provides invaluable information to both professional and amateur readers, offering detailed reviews of contemporary software for artificial life.
